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Information card for entry 7157329
Preview
| Coordinates | 7157329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H32 Na O8 S |
|---|---|
| Calculated formula | C19 H32 Na O8 S |
| Title of publication | First enantioselective synthesis of gingesulfonic acids and unequivocal determination of their absolute stereochemistry. |
| Authors of publication | Bencivenni, Grazia; Moccia, Maria; Ravelli, Andrea; Gillick-Healy, Malachi W; Kelly, Brian G.; Adamo, Mauro F. A. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1091 - 1094 |
| a | 4.8228 ± 0.0004 Å |
| b | 15.0261 ± 0.0016 Å |
| c | 15.5936 ± 0.0015 Å |
| α | 88.598 ± 0.008° |
| β | 88.036 ± 0.006° |
| γ | 82.569 ± 0.007° |
| Cell volume | 1119.66 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1298 |
| Residual factor for significantly intense reflections | 0.1107 |
| Weighted residual factors for significantly intense reflections | 0.299 |
| Weighted residual factors for all reflections included in the refinement | 0.3125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249041 (current) | 2020-03-05 | cif/ Updating files of 7157329 Original log message: Adding full bibliography for 7157329.cif. |
7157329.cif |
| 247282 | 2020-01-28 | cif/ Adding structures of 7157329 via cif-deposit CGI script. |
7157329.cif |
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